General Information of the Compound
| Compound ID |
CP0525021
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| Compound Name |
benzyl 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C16H20N4O2S
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| Molecular Weight |
332.429
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1
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| InChI |
InChI=1S/C16H20N4O2S/c21-16(22-11-14-4-2-1-3-5-14)20-8-6-13(7-9-20)10-17-15-19-18-12-23-15/h1-5,12-13H,6-11H2,(H,17,19)
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| InChIKey |
JRLRJUXCVXQXRI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2